General Information of the Compound
| Compound ID |
CP0501738
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| Compound Name |
1-(2-methoxy-4,6-dimethylphenyl)-3-methyl-N-(2-(pyrrolidin-1-yl)ethyl)isoquinolin-4-amine
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| Structure |
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| Formula |
C25H31N3O
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| Molecular Weight |
389.543
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| Canonical SMILES |
COc1cc(C)cc(C)c1-c1nc(C)c(NCCN2CCCC2)c2ccccc12
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| InChI |
InChI=1S/C25H31N3O/c1-17-15-18(2)23(22(16-17)29-4)25-21-10-6-5-9-20(21)24(19(3)27-25)26-11-14-28-12-7-8-13-28/h5-6,9-10,15-16,26H,7-8,11-14H2,1-4H3
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| InChIKey |
LUBVCPDQHBOKKT-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound